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Home> Hot Product Listed T   > T6681233
43193-60-8 structure

T6681233

Iupac Name:pyrazine-2,3,5,6-tetracarboxylic acid
CAS No.:43193-60-8
Molecular Weight:256.126
Molecular Formula:C18H20N2OS2 (isomer)
Names and Identifiers
Synonyms

2-{[3-(cyclopentyloxy)phenyl]amino}-n-(1,1-dioxo-1lambda6-thiolan-3-yl)-n-methylacetamide MCULE-3358192080 MOLPORT-009-175-691 Z319538526

Inchi
InChI=1S/C8H4N2O8/c11-5(12)1-2(6(13)14)10-4(8(17)18)3(9-1)7(15)16/h(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChkey
RTHVZRHBNXZKKB-UHFFFAOYSA-N
Canonical Smiles
C1(=C(N=C(C(=N1)C(=O)O)C(=O)O)C(=O)O)C(=O)O
Properties
Melting Point
205℃ (decomposition)
Refractive Index
1.727
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:256.126g/mol
  • Molecular Formula:C18H20N2OS2
  • Compound Is Canonicalized:True
  • Exact Mass:255.997
  • Monoisotopic Mass:255.997
  • Complexity:334
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:175A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzPAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAADgAACAAACAgBlgAAiBIIEgCo AQTwTAQAgCQHECAAGAGgWEACRlhAACAUUYAGAADQEUBDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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